6IYK
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![BU of 6iyk by Molmil](/molmil-images/mine/6iyk) | The structure of EntE with 2-nitrobenzoyl adenylate analog | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine | Authors: | Miyanaga, A, Ishikawa, F. | Deposit date: | 2018-12-17 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket. Angew.Chem.Int.Ed.Engl., 58, 2019
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8IY1
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![BU of 8iy1 by Molmil](/molmil-images/mine/8iy1) | Structure of Acb2 complexed with cAAG | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26 | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | Deposit date: | 2023-04-03 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides. Mol.Cell, 84, 2024
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8IY0
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![BU of 8iy0 by Molmil](/molmil-images/mine/8iy0) | Structure of Acb2 complexed with cAAA | Descriptor: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26 | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | Deposit date: | 2023-04-03 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides. Mol.Cell, 84, 2024
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1Q61
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![BU of 1q61 by Molmil](/molmil-images/mine/1q61) | PKA triple mutant model of PKB | Descriptor: | N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-08-12 | Release date: | 2003-09-30 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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6NFG
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![BU of 6nfg by Molmil](/molmil-images/mine/6nfg) | |
6NFO
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![BU of 6nfo by Molmil](/molmil-images/mine/6nfo) | |
1Q24
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![BU of 1q24 by Molmil](/molmil-images/mine/1q24) | PKA double mutant model of PKB in complex with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-07-23 | Release date: | 2003-08-19 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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2IZX
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![BU of 2izx by Molmil](/molmil-images/mine/2izx) | Molecular Basis of AKAP Specificity for PKA Regulatory Subunits | Descriptor: | AKAP-IS, CAMP-DEPENDENT PROTEIN KINASE TYPE II-ALPHA REGULATORY SUBUNIT, DITHIANE DIOL | Authors: | Gold, M.G, Lygren, B, Dokurno, P, Hoshi, N, McConnachie, G, Tasken, K, Carlson, C.R, Scott, J.D, Barford, D. | Deposit date: | 2006-07-27 | Release date: | 2006-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular Basis of Akap Specificity for Pka Regulatory Subunits. Mol.Cell, 24, 2006
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2R85
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![BU of 2r85 by Molmil](/molmil-images/mine/2r85) | Crystal structure of PurP from Pyrococcus furiosus complexed with AMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | Deposit date: | 2007-09-10 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii. Biochemistry, 47, 2008
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1JNK
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3F5U
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![BU of 3f5u by Molmil](/molmil-images/mine/3f5u) | Crystal structure of the death associated protein kinase in complex with AMPPNP and Mg2+ | Descriptor: | Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | McNamara, L.K, Watterson, D.M, Brunzelle, J.S. | Deposit date: | 2008-11-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into nucleotide recognition by human death-associated protein kinase. Acta Crystallogr.,Sect.D, 65, 2009
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5N6I
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![BU of 5n6i by Molmil](/molmil-images/mine/5n6i) | Crystal structure of mouse cGAS in complex with 39 bp DNA | Descriptor: | Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ... | Authors: | Andreeva, L, Kostrewa, D, Hopfner, K.-P. | Deposit date: | 2017-02-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders. Nature, 549, 2017
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4Z1I
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![BU of 4z1i by Molmil](/molmil-images/mine/4z1i) | Crystal structure of human Trap1 with AMPPNP | Descriptor: | Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ... | Authors: | Lee, C, Park, H.K, Ryu, J.H, Kang, B.H. | Deposit date: | 2015-03-27 | Release date: | 2015-04-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1 J.Am.Chem.Soc., 137, 2015
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5NX9
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![BU of 5nx9 by Molmil](/molmil-images/mine/5nx9) | Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) in complex with its products AMP and fumarate | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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6OZV
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![BU of 6ozv by Molmil](/molmil-images/mine/6ozv) | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-16 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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6OZ1
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![BU of 6oz1 by Molmil](/molmil-images/mine/6oz1) | Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases. J.Am.Chem.Soc., 142, 2020
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5CKW
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![BU of 5ckw by Molmil](/molmil-images/mine/5ckw) | Crystal structure of LegK4_AMPPNP Kinase | Descriptor: | CALCIUM ION, LegK4, MAGNESIUM ION, ... | Authors: | Flayhan, A, Terradot, L. | Deposit date: | 2015-07-15 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase. Sci Rep, 5, 2015
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5CFT
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![BU of 5cft by Molmil](/molmil-images/mine/5cft) | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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1PPX
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![BU of 1ppx by Molmil](/molmil-images/mine/1ppx) | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | Deposit date: | 2003-06-17 | Release date: | 2003-08-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product. Biochemistry, 42, 2003
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1PUN
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![BU of 1pun by Molmil](/molmil-images/mine/1pun) | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | Deposit date: | 2003-06-25 | Release date: | 2003-08-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product. Biochemistry, 42, 2003
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1PUS
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![BU of 1pus by Molmil](/molmil-images/mine/1pus) | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | Deposit date: | 2003-06-25 | Release date: | 2003-08-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product. Biochemistry, 42, 2003
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3BWJ
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![BU of 3bwj by Molmil](/molmil-images/mine/3bwj) | Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 | Descriptor: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide, cAMP-dependent protein kinase, alpha-catalytic subunit | Authors: | Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D. | Deposit date: | 2008-01-09 | Release date: | 2009-02-03 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases. J.Med.Chem., 52, 2009
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1PUQ
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![BU of 1puq by Molmil](/molmil-images/mine/1puq) | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | Deposit date: | 2003-06-25 | Release date: | 2003-08-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product. Biochemistry, 42, 2003
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5CFS
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![BU of 5cfs by Molmil](/molmil-images/mine/5cfs) | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and tobramycin | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, AAD(2''),Gentamicin 2''-nucleotidyltransferase,Gentamicin resistance protein, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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8HWJ
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![BU of 8hwj by Molmil](/molmil-images/mine/8hwj) | Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CD-NTase-associated protein 12 | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2022-12-30 | Release date: | 2024-01-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
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